A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases
Academic Article
Publication Date:
2016
abstract:
Carboxylates are the least investigated class of inhibitors of carbonic anhydrases (CAs). Here we explain the versatility of binding of these molecules to CAs by examining a new adduct of hCA II with N-carboxymethylsaccharin.
Iris type:
01.01 Articolo in rivista
Keywords:
carbonic anhydrases; drug design; inhibitors; theoretical calculations; X-ray structures
List of contributors:
DE SIMONE, Giuseppina; Monti, SIMONA MARIA; D'Ambrosio, Katia; Langella, Emma
Published in: